Information card for entry 7120033

Structure parameters

• Formula: C96 H100 Cu6 P6 S6 Sn2
• Calculated formula: C96 H100 Cu6 P6 S6 Sn2
• SMILES: c1(ccccc1)[Sn]12[S]3[Cu]45([P](c6ccccc6)(c6ccccc6)CC)[S]6[Cu]5([P](c5ccccc5)(c5ccccc5)CC)[S]2[Cu]2([P](c5ccccc5)(c5ccccc5)CC)[S]5[Cu]72([P](c2ccccc2)(c2ccccc2)CC)[S]1[Cu]7([P](c1ccccc1)(c1ccccc1)CC)[S]([Cu]34[P](c1ccccc1)(c1ccccc1)CC)[Sn]65c1ccccc1
• Title of publication: Lanthanide separation using size-selective crystallization of Ln-MOFs
• Authors of publication: Luo, Feng; Gao, Heng Ya; Peng, Wenli; Meng, PanPan; Feng, Xuefeng; Li, Jianqiang; Wu, HuiQiong; Yan, Chang Sheng; Xiaong, Yang Yang
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 12.724 ± 0.0005 Å
• b: 14.525 ± 0.0006 Å
• c: 15.261 ± 0.0006 Å
• α: 108.741 ± 0.003°
• β: 108.982 ± 0.003°
• γ: 100.892 ± 0.003°
• Cell volume: 2386.22 ± 0.19 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No